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返回ChemicalBook首页>CAS数据库列表>4920-80-3更多图谱> 3-甲氧基-2-硝基苯甲酸(4920-80-3)红外图谱(IR2)

4920-80-3

3-甲氧基-2-硝基苯甲酸(4920-80-3)红外图谱(IR2)

分子式:C8H7NO5

分子量: 197.14

InChI:InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey: YMOMYSDAOXOCID-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC(OC)=C1[N+]([O-])=O

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    Mass

    MS-NW-6718          
    3-methoxy-2-nitrobenzoic acid
    C8H7NO5             (Mass of molecular ion:    197)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          14.0       1.4
          15.0      12.9
          17.0       1.8
          18.0       6.0
          26.0       5.2
          27.0       5.5
          28.0       4.8
          29.0       8.0
          30.0      28.0
          31.0       3.6
          37.0      14.5
          38.0      16.5
          39.0      33.0
          40.0       3.6
          41.0       8.4
          42.0       1.1
          43.0       2.4
          44.0       4.1
          45.0      12.8
          46.0       4.4
          49.0       3.9
          50.0      37.0
          51.0      37.8
          52.0      28.6
          53.0      17.6
          54.0       4.2
          55.0       6.6
          59.0       6.0
          60.0       1.3
          61.0      11.0
          62.0      25.5
          63.0      49.3
          64.0      16.4
          65.0     100.0
          66.0      10.3
          67.0       8.9
          68.0       9.0
          69.0       1.7
          70.0       1.2
          73.0       3.7
          74.0      18.6
          75.0      22.1
          76.0      54.6
          77.0      42.5
          78.0      14.0
          79.0      24.8
          80.0      10.1
          81.0      10.9
          82.0       1.1
          83.0       2.0
          90.0       1.8
          91.0      17.2
          92.0      17.4
          93.0      19.3
          94.0       4.9
          95.0      18.2
          96.0       6.4
         103.0       2.9
         104.0       7.3
         105.0       9.8
         106.0      29.6
         107.0      59.5
         108.0      17.9
         109.0       5.6
         111.0       2.4
         119.0      66.1
         120.0       9.2
         121.0      24.5
         122.0       9.6
         123.0       6.2
         124.0       1.7
         133.0       1.0
         134.0       2.9
         135.0       2.1
         136.0      22.9
         137.0      25.6
         138.0       2.7
         139.0       6.0
         149.0      56.7
         150.0      43.8
         151.0       4.5
         152.0       1.3
         153.0       2.2
         167.0      17.9
         168.0       1.8
         180.0       1.0
         197.0      58.5
         198.0       5.4
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C8 H7 N O5 0.041 g : 0.5 ml DMSO-d6
    3-methoxy-2-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14. B 7.64 C 7.60 D 7.59 E 3.930

         Hz     ppm     Int.
    

        685.82   7.658    105
        684.17   7.640     26
        682.52   7.621    311
        681.53   7.610    404
        680.87   7.603    368
        677.57   7.566    140
        670.65   7.489     30
        351.98   3.931   1000
        346.81   3.873     23
    

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    1H NMR 399.65 MHz
    C8 H7 N O5 0.038 g : 0.5 ml DMSO-d6
    3-methoxy-2-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14. B 7.666 C *1 7.61 D *1 7.59 E 3.938

         Hz     ppm     Int.
    

       3073.97   7.692     68
       3066.41   7.673    105
       3065.43   7.671    132
       3058.11   7.652    189
       3044.68   7.619    118
       3043.21   7.615    189
       3037.35   7.601    203
       3035.89   7.597    206
       3031.74   7.586     24
       3029.79   7.582    116
       3028.32   7.578    102
       1573.97   3.939   1000
    

DMSO-d6

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KBr disc

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nujol mull

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